Characterization of Nucleation Behavior in Temperature-Induced BCC-to-HCP Phase Transformation for High Entropy Alloy

作     者：Xiusong Huang Lehua Liu Weibing Liao Jianjun Huang Huibin Sun Chunyan Yu Xiusong Huang;Lehua Liu;Weibing Liao;Jianjun Huang;Huibin Sun;Chunyan Yu

作者机构：College of Physics and Optoelectronic EngineeringShenzhen UniversityShenzhen 518060China National Engineering Research Center of Near-Net-Shape Forming for Metallic MaterialsSouth China University of TechnologyGuangzhou 510640China 

出 版 物：《Acta Metallurgica Sinica(English Letters)》 (金属学报（英文版）)

年 卷 期：2021年第34卷第11期

页      面：1546-1556页

核心收录：

学科分类：08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 

基　　金：funded by the China Postdoctoral Science Foundation(No.2020M672787) the National Natural Science Foundation of China(Nos.51701125,51801128,52001123) the Guangdong Basic and Applied Basic Research Foundation(No.2021A1515012278) 

主　　题：Atomistic characterization Nucleation Lattice distortion Chemical short-range order HfNbTaTiZr High entropy alloys 

摘      要：Phase transformation is one of the essential topics in the studies on high entropy alloys(HEAs).However,characterization of the nucleation behavior in the phase transformation for HEAs is still challenging through experimental *** the present work,HfNbTaTiZr HEA was chosen as the representative material,and molecular dynamics/Monte Carlo(MD/MC)simulations were performed to investigate the nucleation behavior in temperature-induced BCC-to-HCP transformation for this HEA *** results indicate that Nb–Ta,Ti–Zr,Hf–Zr and Hf–Ti atom pairs are preferred in the BCC solid solution of HfNbTaTiZr HEA and Hf–Ti–Zr-rich atom cluster with chemical short range order acts as the nucleation site for HCP *** nucleation process follows the non-classical two-step nucleation model:BCC-like structure with severe lattice distortion forms first and then HCP structure nucleates from the BCC-like ***,at low temperature,the BCC-to-HCP nucleation hardly occurs,and the BCC solid solution is *** present work provides more atomic details of the nucleation behavior in temperature-induced BCC-to-HCP phase transformation for HEA,and can help in deep understanding of the phase stability for HEAs.